UCSF

ZINC25453950

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.16 5.46 -54.63 1 7 -1 113 348.356 6
Hi High (pH 8-9.5) 3.16 5.5 -90.61 0 7 -2 115 347.348 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )